N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide

C23H20FN3O2 — CID 134797483

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(F)cc2)nn2cccc12
InChIInChI=1S/C23H20FN3O2/c1-29-22-7-3-2-5-18(22)19-15-20(26-27-14-4-6-21(19)27)23(28)25-13-12-16-8-10-17(24)11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,28)
InChIKeyRWZYPGMFQYDPIJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 134797483) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID134797483
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(F)cc2)nn2cccc12
InChIInChI=1S/C23H20FN3O2/c1-29-22-7-3-2-5-18(22)19-15-20(26-27-14-4-6-21(19)27)23(28)25-13-12-16-8-10-17(24)11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,28)
InChIKeyRWZYPGMFQYDPIJ-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-(4-fluorobenzyl)-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide
CID 91864701
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769271
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
Hymenialdisine, 28x
CID 135531190
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)picolinamide
CID 54587759
N-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308364
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 7087092
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-2-carboxamide
CID 52935061
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide (CID 134797483) is N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide is COc1ccccc1-c1cc(C(=O)NCCc2ccc(F)cc2)nn2cccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is RWZYPGMFQYDPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-29-22-7-3-2-5-18(22)19-15-20(26-27-14-4-6-21(19)27)23(28)25-13-12-16-8-10-17(24)11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 134797483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).